| CAS Number | 166987-16-2 |
| Catalog Number | AG00IMPL(AGN-PC-0WCYFV) |
| Chemical Name | (2S,3S)-3-Amino-1-chloro-4-phenylbutan-2-ol hydrochloride |
| IUPAC Name | (2S,3S)-3-amino-1-chloro-4-phenylbutan-2-ol;hydrochloride |
| InChI | InChI=1S/C10H14ClNO.ClH/c11-7-10(13)9(12)6-8-4-2-1-3-5-8;/h1-5,9-10,13H,6-7,12H2;1H/t9-,10+;/m0./s1 |
| InChI Key | UUFFFFLPZDDWLI-BAUSSPIASA-N |
| MDL Number | MFCD22419250 |
| Molecular Formula | C10H15Cl2NO |
| Molecular Weight | 236.1382 |
| SMILES | O[C@@H]([C@@H](N)CC1=CC=CC=C1)CCl.[H]Cl |
| Synonyms | (2S,3S)-3-Amino-1-chloro-4-phenylbutan-2-ol hydrochloride,
166987-16-2,
SCHEMBL2232703,
UUFFFFLPZDDWLI-BAUSSPIASA-N,
AKOS027288979,
Y6616,
(2S,3S)-3-amino-1-chloro-2-hydroxy-4-phenylbutane hydrochloride,
C10H15Cl2NO,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.136g/mol |
| Monoisotopic Mass | 235.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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